SpectraBase Spectrum ID |
1oJLFVUoD7U |
Name |
(3ar*,9S*,9ar*)-9-Hydroxy-9-phenyl-3A,4,9,9A-tetrahydronaphtho[2,3-C]furan-1(3H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.109944372 u |
Formula |
C18H16O3 |
InChI |
InChI=1S/C18H16O3/c19-17-16-13(11-21-17)10-12-6-4-5-9-15(12)18(16,20)14-7-2-1-3-8-14/h1-9,13,16,20H,10-11H2/t13-,16-,18-/m0/s1 |
InChIKey |
QVFLPUAVVAQFML-OWQGQXMQSA-N |
SMILES |
[C@]1([C@]2([C@@](COC2=O)([H])CC2=C1C=CC=C2)[H])(C1=CC=CC=C1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927402 |